ethyl 1-{3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
ethyl 1-{3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V001-4801 |
| Compound Name: | ethyl 1-{3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C21 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(CCC1C(N=C(c2ccc(C)c(c2)[Cl])NN=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.612 |
| logD: | 2.612 |
| logSw: | -3.4999 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.388 |
| InChI Key: | LWSVEVWQMITOAG-HNNXBMFYSA-N |